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Compile Data Set for Download or QSAR

Found 206 hits Enz. Inhib. hit(s) with Target = 'Ataxin-1' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ataxin-1


(Homo sapiens (Human))
BDBM322065
PNG
(1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...)
Show SMILES Cc1nnn(Cc2cc(ccc2CCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C25H33F3N8O/c1-18-30-34-36(32-18)17-21-15-22(25(26,27)28)9-7-20(21)8-10-24(37)35-13-11-19(12-14-35)5-3-2-4-6-23-16-29-33-31-23/h7,9,15-16,19H,2-6,8,10-14,17H2,1H3,(H,29,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321944
PNG
((E)-1-(4-((1-Methyl-1H-pyrazol-4-yl)methyl)piperaz...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3cnn(C)c3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N8O/c1-16-27-29-33(28-16)15-19-11-20(22(23,24)25)5-3-18(19)4-6-21(34)32-9-7-31(8-10-32)14-17-12-26-30(2)13-17/h3-6,11-13H,7-10,14-15H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321962
PNG
((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N7O2/c1-15-11-31(13-21-14-35-17(3)27-21)8-9-32(15)22(34)7-5-18-4-6-20(23(24,25)26)10-19(18)12-33-29-16(2)28-30-33/h4-7,10,14-15H,8-9,11-13H2,1-3H3/b7-5+/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322066
PNG
(1-(4-(5-(1H-1,2,3-Triazol-4-yl)pentyl)piperidin-1-...)
Show SMILES Cc1nnn(Cc2cc(ccc2OCC(=O)N2CCC(CCCCCc3c[nH]nn3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H31F3N8O2/c1-17-29-33-35(31-17)15-19-13-20(24(25,26)27)7-8-22(19)37-16-23(36)34-11-9-18(10-12-34)5-3-2-4-6-21-14-28-32-30-21/h7-8,13-14,18H,2-6,9-12,15-16H2,1H3,(H,28,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322063
PNG
((E)-N-(1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-y...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)n1
Show InChI InChI=1S/C23H28ClN9O2/c1-16-27-31-33(29-16)15-18-13-19(24)7-5-17(18)6-8-23(35)32-11-9-20(10-12-32)26-22(34)4-2-3-21-14-25-30-28-21/h5-8,13-14,20H,2-4,9-12,15H2,1H3,(H,26,34)(H,25,28,30)/b8-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM340686
PNG
(US9763957, Example 5a)
Show SMILES Cc1noc(n1)[C@H]1CCCCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-20(33-28-13)18-5-3-4-10-30(18)19(32)9-7-15-6-8-17(21(22,23)24)11-16(15)12-31-27-14(2)26-29-31/h6-9,11,18H,3-5,10,12H2,1-2H3/b9-7+/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321991
PNG
((E)-1-(4-((1-Methyl-1H-pyrazol-3-yl)methyl)piperaz...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3ccn(C)n3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H25F3N8O/c1-16-26-29-33(27-16)14-18-13-19(22(23,24)25)5-3-17(18)4-6-21(34)32-11-9-31(10-12-32)15-20-7-8-30(2)28-20/h3-8,13H,9-12,14-15H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321899
PNG
((E)-Ethyl 1-((1-(3-(4-chloro-2-((5-methyl-2H-tetra...)
Show SMILES CCOC(=O)c1cnn(CC2(O)CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c1
Show InChI InChI=1S/C24H28ClN7O4/c1-3-36-23(34)20-13-26-31(14-20)16-24(35)8-10-30(11-9-24)22(33)7-5-18-4-6-21(25)12-19(18)15-32-28-17(2)27-29-32/h4-7,12-14,35H,3,8-11,15-16H2,1-2H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322027
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES COc1ccc(CN2CCN([C@H](C)C2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
Show InChI InChI=1S/C24H28ClN7O2/c1-17-14-30(16-22-7-8-23(34-3)13-26-22)10-11-31(17)24(33)9-5-19-4-6-21(25)12-20(19)15-32-28-18(2)27-29-32/h4-9,12-13,17H,10-11,14-16H2,1-3H3/b9-5+/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321994
PNG
((E)-1-(4-(5-Ethyl-1,3,4-oxadiazol-2-yl)piperidin-1...)
Show SMILES CCc1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N7O2/c1-3-19-27-28-21(34-19)16-8-10-31(11-9-16)20(33)7-5-15-4-6-18(22(23,24)25)12-17(15)13-32-29-14(2)26-30-32/h4-7,12,16H,3,8-11,13H2,1-2H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322064
PNG
((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCc2c[nH]nn2)C(F)(F)F)n1
Show InChI InChI=1S/C24H28F3N9O2/c1-16-30-34-36(32-16)15-18-13-19(24(25,26)27)7-5-17(18)6-8-23(38)35-11-9-20(10-12-35)29-22(37)4-2-3-21-14-28-33-31-21/h5-8,13-14,20H,2-4,9-12,15H2,1H3,(H,29,37)(H,28,31,33)/b8-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322006
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2noc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C21H25ClN8O2/c1-14-11-28(13-20-23-16(3)32-26-20)8-9-29(14)21(31)7-5-17-4-6-19(22)10-18(17)12-30-25-15(2)24-27-30/h4-7,10,14H,8-9,11-13H2,1-3H3/b7-5+/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322002
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES CC(C)c1nnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C22H26ClN7O2/c1-14(2)21-25-26-22(32-21)17-8-10-29(11-9-17)20(31)7-5-16-4-6-19(23)12-18(16)13-30-27-15(3)24-28-30/h4-7,12,14,17H,8-11,13H2,1-3H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322017
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2nc(C)no2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C21H25ClN8O2/c1-14-11-28(13-20-23-15(2)26-32-20)8-9-29(14)21(31)7-5-17-4-6-19(22)10-18(17)12-30-25-16(3)24-27-30/h4-7,10,14H,8-9,11-13H2,1-3H3/b7-5+/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321889
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(o1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C21H23ClN6O2/c1-14-12-23-21(30-14)17-7-9-27(10-8-17)20(29)6-4-16-3-5-19(22)11-18(16)13-28-25-15(2)24-26-28/h3-6,11-12,17H,7-10,13H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321957
PNG
(US10183025, Example 66 | US10183025, Example 66b |...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321963
PNG
((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C23H27F3N8O/c1-16-12-32(14-18-11-27-31(3)13-18)8-9-33(16)22(35)7-5-19-4-6-21(23(24,25)26)10-20(19)15-34-29-17(2)28-30-34/h4-7,10-11,13,16H,8-9,12,14-15H2,1-3H3/b7-5+/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321966
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2cnn(C)c2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C22H27ClN8O/c1-16-12-29(14-18-11-24-28(3)13-18)8-9-30(16)22(32)7-5-19-4-6-21(23)10-20(19)15-31-26-17(2)25-27-31/h4-7,10-11,13,16H,8-9,12,14-15H2,1-3H3/b7-5+/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321953
PNG
((R,E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)me...)
Show SMILES C[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C22H26ClN7O2/c1-15-11-28(13-21-14-32-17(3)24-21)8-9-29(15)22(31)7-5-18-4-6-20(23)10-19(18)12-30-26-16(2)25-27-30/h4-7,10,14-15H,8-9,11-13H2,1-3H3/b7-5+/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321961
PNG
((E)-tert-Butyl-4-(3-(2-((5-methyl-2H-tetrazol-2-yl...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C(F)(F)F)n1
Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)14-17-13-18(22(23,24)25)7-5-16(17)6-8-19(32)29-9-11-30(12-10-29)20(33)34-21(2,3)4/h5-8,13H,9-12,14H2,1-4H3/b8-6+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321957
PNG
(US10183025, Example 66 | US10183025, Example 66b |...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+
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n/an/a 4.60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321988
PNG
((E)-1-(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piper...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)C(F)(F)F)n1
Show InChI InChI=1S/C23H24F3N7O2/c1-14-27-31-33(30-14)13-18-12-19(23(24,25)26)6-4-15(18)5-7-20(34)32-10-8-17(9-11-32)22-29-28-21(35-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+
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n/an/a 4.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321896
PNG
(US10183025, Example 30a | US9763957, Example 30a)
Show SMILES CC(C)c1noc(n1)[C@H]1CCCCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C22H26ClN7O2/c1-14(2)21-24-22(32-27-21)19-6-4-5-11-29(19)20(31)10-8-16-7-9-18(23)12-17(16)13-30-26-15(3)25-28-30/h7-10,12,14,19H,4-6,11,13H2,1-3H3/b10-8+/t19-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322061
PNG
((E)-1-(4-(1-(1H-1,2,3-Triazole-4-carbonyl)piperidi...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCN(CC2)C2CCN(CC2)C(=O)c2c[nH]nn2)n1
Show InChI InChI=1S/C24H29ClN10O2/c1-17-27-31-35(29-17)16-19-14-20(25)4-2-18(19)3-5-23(36)33-12-10-32(11-13-33)21-6-8-34(9-7-21)24(37)22-15-26-30-28-22/h2-5,14-15,21H,6-13,16H2,1H3,(H,26,28,30)/b5-3+
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n/an/a 4.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322003
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)on1
Show InChI InChI=1S/C22H24F3N7O2/c1-15-11-20(34-28-15)14-30-7-9-31(10-8-30)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-27-16(2)26-29-32/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+
PDB

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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322013
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(CC3CCOCC3)o2)n1
Show InChI InChI=1S/C25H30ClN7O3/c1-17-27-31-33(30-17)16-21-15-22(26)4-2-19(21)3-5-24(34)32-10-6-20(7-11-32)25-29-28-23(36-25)14-18-8-12-35-13-9-18/h2-5,15,18,20H,6-14,16H2,1H3/b5-3+
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n/an/a 5.20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322005
PNG
((E)-1-(4-(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)piperi...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CCC2)C(F)(F)F)n1
Show InChI InChI=1S/C24H26F3N7O2/c1-15-28-32-34(31-15)14-19-13-20(24(25,26)27)7-5-16(19)6-8-21(35)33-11-9-18(10-12-33)23-30-29-22(36-23)17-3-2-4-17/h5-8,13,17-18H,2-4,9-12,14H2,1H3/b8-6+
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322068
PNG
((E)-N-(1-(3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)NC(=O)CCCCCc2cnn[nH]2)C(F)(F)F)n1
Show InChI InChI=1S/C26H32F3N9O2/c1-18-32-36-38(34-18)17-20-15-21(26(27,28)29)9-7-19(20)8-10-25(40)37-13-11-22(12-14-37)31-24(39)6-4-2-3-5-23-16-30-35-33-23/h7-10,15-16,22H,2-6,11-14,17H2,1H3,(H,31,39)(H,30,33,35)/b10-8+
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321956
PNG
((R,E)-tert-Butyl 2-(3-methyl-4-(3-(2-((5-methyl-2H...)
Show SMILES C[C@@H]1CN(CC(=O)OC(C)(C)C)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C24H31F3N6O3/c1-16-13-31(15-22(35)36-23(3,4)5)10-11-32(16)21(34)9-7-18-6-8-20(24(25,26)27)12-19(18)14-33-29-17(2)28-30-33/h6-9,12,16H,10-11,13-15H2,1-5H3/b9-7+/t16-/m1/s1
PDB

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n/an/a 5.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321967
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCN(Cc3coc(C)n3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H24F3N7O2/c1-15-27-29-32(28-15)12-18-11-19(22(23,24)25)5-3-17(18)4-6-21(33)31-9-7-30(8-10-31)13-20-14-34-16(2)26-20/h3-6,11,14H,7-10,12-13H2,1-2H3/b6-4+
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n/an/a 5.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321954
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1csc(n1)C(O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C22H25ClN6O2S/c1-14-13-32-22(24-14)21(31)17-7-9-28(10-8-17)20(30)6-4-16-3-5-19(23)11-18(16)12-29-26-15(2)25-27-29/h3-6,11,13,17,21,31H,7-10,12H2,1-2H3/b6-4+
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n/an/a 5.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321867
PNG
((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1
Show InChI InChI=1S/C21H22F3N7O2/c1-13-26-29-31(27-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-25-14(2)33-28-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+
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n/an/a 5.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322044
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+
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n/an/a 5.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321927
PNG
((E)-ethyl 1-(3-(4-Chloro-2-((5-methyl-2H-tetrazol-...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C20H24ClN5O3/c1-3-29-20(28)16-8-10-25(11-9-16)19(27)7-5-15-4-6-18(21)12-17(15)13-26-23-14(2)22-24-26/h4-7,12,16H,3,8-11,13H2,1-2H3/b7-5+
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n/an/a 5.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321957
PNG
(US10183025, Example 66 | US10183025, Example 66b |...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)C(O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-16-27-29-31(28-16)15-20-14-22(26)8-2-17(20)5-9-23(32)30-12-10-19(11-13-30)24(33)18-3-6-21(25)7-4-18/h2-9,14,19,24,33H,10-13,15H2,1H3/b9-5+
PDB

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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321964
PNG
((E)-1-(4-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)pi...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(Cc3noc(C)n3)CC2)C(F)(F)F)n1
Show InChI InChI=1S/C22H24F3N7O2/c1-14-27-30-32(28-14)13-18-12-19(22(23,24)25)5-3-17(18)4-6-21(33)31-9-7-16(8-10-31)11-20-26-15(2)34-29-20/h3-6,12,16H,7-11,13H2,1-2H3/b6-4+
PDB

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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322042
PNG
((E)-1-(4-Benzyl-4-hydroxypiperidin-1-yl)-3-(4-chlo...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(O)(Cc3ccccc3)CC2)n1
Show InChI InChI=1S/C24H26ClN5O2/c1-18-26-28-30(27-18)17-21-15-22(25)9-7-20(21)8-10-23(31)29-13-11-24(32,12-14-29)16-19-5-3-2-4-6-19/h2-10,15,32H,11-14,16-17H2,1H3/b10-8+
PDB

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n/an/a 6.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321893
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(c1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C21H24ClN7O/c1-15-12-23-28(13-15)20-7-9-27(10-8-20)21(30)6-4-17-3-5-19(22)11-18(17)14-29-25-16(2)24-26-29/h3-6,11-13,20H,7-10,14H2,1-2H3/b6-4+
PDB

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n/an/a 6.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322007
PNG
((E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(tr...)
Show SMILES Cc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)no1
Show InChI InChI=1S/C22H24F3N7O2/c1-15-11-20(28-34-15)14-30-7-9-31(10-8-30)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-27-16(2)26-29-32/h3-6,11-12H,7-10,13-14H2,1-2H3/b6-4+
PDB

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n/an/a 6.60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322062
PNG
((E)-3-((2-(4-(3-(4-Chloro-2-((5-methyl-2H-tetrazol...)
Show SMILES CCOc1c(NCCC2CN(CCO2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)c(=O)c1=O
Show InChI InChI=1S/C24H27ClN6O5/c1-3-35-24-21(22(33)23(24)34)26-9-8-19-14-30(10-11-36-19)20(32)7-5-16-4-6-18(25)12-17(16)13-31-28-15(2)27-29-31/h4-7,12,19,26H,3,8-11,13-14H2,1-2H3/b7-5+
PDB

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n/an/a 6.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322025
PNG
((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC[C@H]2C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C19H19F6N5O/c1-12-26-28-30(27-12)11-14-10-15(18(20,21)22)7-5-13(14)6-8-17(31)29-9-3-2-4-16(29)19(23,24)25/h5-8,10,16H,2-4,9,11H2,1H3/b8-6+/t16-/m0/s1
PDB

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n/an/a 6.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322041
PNG
((S,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC[C@H]2C(F)(F)F)C(F)(F)F)n1
Show InChI InChI=1S/C18H17F6N5O/c1-11-25-27-29(26-11)10-13-9-14(17(19,20)21)6-4-12(13)5-7-16(30)28-8-2-3-15(28)18(22,23)24/h4-7,9,15H,2-3,8,10H2,1H3/b7-5+/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321898
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1
Show InChI InChI=1S/C22H25ClN6O2/c1-15-13-24-21(31-15)11-17-7-9-28(10-8-17)22(30)6-4-18-3-5-20(23)12-19(18)14-29-26-16(2)25-27-29/h3-6,12-13,17H,7-11,14H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321946
PNG
((E)-3-(4-(Difluoromethyl)-2-((5-methyl-2H-tetrazol...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)F)n1
Show InChI InChI=1S/C21H23F2N7O2/c1-13-25-28-30(26-13)12-18-11-17(20(22)23)4-3-15(18)5-6-19(31)29-9-7-16(8-10-29)21-24-14(2)32-27-21/h3-6,11,16,20H,7-10,12H2,1-2H3/b6-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321948
PNG
((E)-1-(4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(C)o2)C(F)(F)F)n1
Show InChI InChI=1S/C21H22F3N7O2/c1-13-25-29-31(28-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-27-26-14(2)33-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322024
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)n1
Show InChI InChI=1S/C21H25ClN8O/c1-15-12-23-29(25-15)13-17-7-9-28(10-8-17)21(31)6-4-18-3-5-20(22)11-19(18)14-30-26-16(2)24-27-30/h3-6,11-12,17H,7-10,13-14H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321986
PNG
((E)-2-Methoxy-N-methyl-N-(1-(3-(2-((5-methyl-2H-te...)
Show SMILES COCC(=O)N(C)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N6O3/c1-15-26-28-31(27-15)13-17-12-18(22(23,24)25)6-4-16(17)5-7-20(32)30-10-8-19(9-11-30)29(2)21(33)14-34-3/h4-7,12,19H,8-11,13-14H2,1-3H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321998
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1nnn(Cc2cc(Cl)ccc2\C=C\C(=O)N2CCC(CC2)c2nnc(o2)C2CC2)n1
Show InChI InChI=1S/C22H24ClN7O2/c1-14-24-28-30(27-14)13-18-12-19(23)6-4-15(18)5-7-20(31)29-10-8-17(9-11-29)22-26-25-21(32-22)16-2-3-16/h4-7,12,16-17H,2-3,8-11,13H2,1H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321890
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnn(n1)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C20H23ClN8O/c1-14-12-22-29(24-14)19-7-9-27(10-8-19)20(30)6-4-16-3-5-18(21)11-17(16)13-28-25-15(2)23-26-28/h3-6,11-12,19H,7-10,13H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM321951
PNG
((E)-1-(4-((3-Methyl-1,2,4-oxadiazol-5-yl)methyl)pi...)
Show SMILES Cc1noc(CC2CCN(CC2)C(=O)\C=C\c2ccc(cc2Cn2nnc(C)n2)C(F)(F)F)n1
Show InChI InChI=1S/C22H24F3N7O2/c1-14-26-20(34-29-14)11-16-7-9-31(10-8-16)21(33)6-4-17-3-5-19(22(23,24)25)12-18(17)13-32-28-15(2)27-30-32/h3-6,12,16H,7-11,13H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
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